N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C9H21NO — CID 62038724

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCC(COC(C)(C)C)NC
InChIInChI=1S/C9H21NO/c1-6-8(10-5)7-11-9(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyIRJKFWPXDGXHFR-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 62038724) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID62038724
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCC(COC(C)(C)C)NC
InChIInChI=1S/C9H21NO/c1-6-8(10-5)7-11-9(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyIRJKFWPXDGXHFR-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
CID 105107974
N-methyl-1-[2-(methylamino)butoxy]butan-2-amine
CID 90079765
N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
CID 105179503
2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 167788378
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64802946
[1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105321343
1-methoxy-N-methyl-3-(2-methylbutan-2-yloxy)propan-2-amine
CID 107506722
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 59906425
4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105152237
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-naphthalen-1-ylpropan-2-amine
CID 105130965

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 62038724) is N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CCC(COC(C)(C)C)NC.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is IRJKFWPXDGXHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-8(10-5)7-11-9(2,3)4/h8,10H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 62038724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).